mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
-8.99
7.96
type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-554889
-4.841758
-1.744958
-6.706078
other
Zn24S24
48
156
939.39
mp-680112
-1.191703
2.836784
-3.003072
other
Cd11I22
33
156
1,323.33
mp-567178
-0.938486
2.346817
-3.015444
other
Pb3I6
9
156
407.33
mp-624307
-6.271903
-2.765536
-2.302376
other
Cu14Te8
22
156
407.45
mp-554115
-4.840446
-1.74439
-6.703028
other
Zn24S24
48
156
939.63
mp-1100827
-4.514982
-2.71903
1.992683
other
Zr40S27
67
156
1,369.35
mp-770433
-7.819452
-7.453396
1.892635
other
Ag11Hg9
20
156
419.49
mp-571298
-1.157712
0.552493
2.364927
other
Si39C39
78
156
802.63
mp-556732
-4.841338
-1.742722
-6.703374
other
Zn20S20
40
156
781.73
mp-571567
-1.207906
2.842432
-3.005887
other
Cd8I16
24
156
912.4
mp-1094620
-6.681906
-9.524797
4.867134
other
Mg3Ga3
6
156
122
mp-571559
-1.208052
2.842418
-3.005691
other
Cd10I20
30
156
1,140.87
mp-680087
-4.840035
-1.782197
-6.724952
other
Zn44S44
88
156
1,781.11
mp-1094327
-4.93119
-7.522989
3.725713
other
Sr3Mg3
6
156
241.4
mp-1203179
-0.93821
2.348967
-3.022867
other
Pb12I24
36
156
1,631.06
mp-581425
-4.839992
-1.781785
-6.724891
other
Zn36S36
72
156
1,456.58
mp-554961
-4.840864
-1.743823
-6.703373
other
Zn28S28
56
156
1,095.55
mp-1120762
-4.043345
-1.541117
-5.538814
other
Cd2S1
3
156
79
mp-570127
-1.208506
2.843309
-3.005667
other
Cd8I16
24
156
909.57
mp-680146
-1.193221
2.837441
-3.002936
other
Cd19I38
57
156
2,280.36
mp-624406
-1.208514
2.843208
-3.005561
other
Cd10I20
30
156
1,136.93
mp-571668
-1.193114
2.840536
-3.004137
other
Cd12I24
36
156
1,458.89
mp-556775
-4.842126
-1.74411
-6.706098
other
Zn16S16
32
156
625.75
mp-624417
-1.191781
2.836831
-3.003073
other
Cd11I22
33
156
1,323.19
mp-680047
-1.193267
2.838409
-3.003026
other
Cd14I28
42
156
1,684.6
mp-1356781
6.085237
13.165612
-2.564915
other
Co12O24
36
156
387.29
mp-556207
-4.841784
-1.743511
-6.704906
other
Zn20S20
40
156
782
mp-582680
-4.840256
-1.78159
-6.725316
other
Zn36S36
72
156
1,456.11
mp-1038862
-5.847932
-9.43576
4.980617
other
Ca3Mg3
6
156
196.18
mp-568696
-1.155956
0.563237
2.359821
other
Si14C14
28
156
288.81
mp-1227691
-5.469644
-1.490234
4.764661
other
Be46Os7
53
156
499.63
mp-570314
-1.208469
2.843092
-3.005553
other
Cd9I18
27
156
1,023.21
mp-571091
-1.207674
2.841437
-3.006119
other
Cd7I14
21
156
804.5
mp-684977
11.606238
9.688466
3.273757
other
Zr27O49
76
156
919.1
mp-680055
-1.191848
2.836888
-3.003081
other
Cd11I22
33
156
1,323.06
mp-680111
-1.207513
2.840629
-3.006121
other
Cd4I8
12
156
460.73
mp-557062
-4.841619
-1.744708
-6.705624
other
Zn20S20
40
156
782.71
mp-1359404
6.060758
13.200774
-2.587878
other
Co12O24
36
156
388.11
mp-570492
-1.208586
2.843013
-3.005743
other
Cd13I26
39
156
1,470.26
mp-571646
-1.193805
2.84028
-3.003925
other
Cd12I24
36
156
1,453.84
mp-569510
-1.191687
2.841866
-3.004626
other
Cd16I32
48
156
1,963.59
mp-570939
-1.2076
2.840683
-3.0061
other
Cd6I12
18
156
691.46
mp-680163
-1.196125
2.839618
-3.00288
other
Cd25I50
75
156
2,997.22
mp-570671
-1.207605
2.841138
-3.006251
other
Cd6I12
18
156
690.85
mp-624418
-1.191689
2.836888
-3.003065
other
Cd11I22
33
156
1,323.59
mp-569666
-1.189095
2.843864
-3.005222
other
Cd17I34
51
156
2,123.47
mp-680085
-4.839617
-1.781866
-6.724286
other
Zn44S44
88
156
1,780.66
mp-571286
-1.15797
0.557378
2.364081
other
Si36C36
72
156
740.86
mp-570410
-1.20755
2.840846
-3.006591
other
Cd9I18
27
156
1,039.99
mp-684907
11.787189
8.573874
1.934587
other
U12O19
31
156
475.34
mp-556989
-4.84164
-1.745903
-6.706683
other
Zn18S18
36
156
705.03
mp-555381
-4.841166
-1.742643
-6.702976
other
Zn24S24
48
156
938.1
mp-556280
-4.841304
-1.742956
-6.703498
other
Zn20S20
40
156
781.88
mp-554004
-4.841801
-1.745601
-6.706719
other
Zn28S28
56
156
1,096.42
mp-556716
-4.842395
-1.744419
-6.706946
other
Zn14S14
28
156
547.54
mp-571592
-1.207926
2.842466
-3.005814
other
Cd8I16
24
156
912.16
mp-556005
-4.842929
-1.743296
-6.707011
other
Zn8S8
16
156
312.56
mp-557308
-4.841228
-1.743528
-6.703842
other
Zn10S10
20
156
391.11
mp-1224879
-3.906059
-1.49162
-5.841743
other
Ga4S6
10
156
248.81
mp-1094592
-6.246579
-9.348433
4.471517
other
Li3Mg3
6
156
127.45
mp-571654
-1.208121
2.842913
-3.005886
other
Cd12I24
36
156
1,364.15
mp-557026
-4.841413
-1.743067
-6.703798
other
Zn18S18
36
156
703.71
mp-557346
-4.841406
-1.743133
-6.703848
other
Zn18S18
36
156
703.74
mp-669360
-1.208497
2.843163
-3.005532
other
Cd12I24
36
156
1,364.56
mp-1096929
-4.042436
-0.776751
-4.224576
other
Zr64S127
191
156
5,069.99
mp-571635
-1.184743
2.848818
-3.00589
other
Cd12I24
36
156
1,576.01
mp-556784
-4.84076
-1.742497
-6.702051
other
Zn22S22
44
156
860.02
mp-680172
-1.194776
2.838422
-3.002846
other
Cd22I44
66
156
2,636.49
mp-568619
-1.155247
0.556211
2.360891
other
Si5C5
10
156
103.15
mp-568656
-1.155817
0.555782
2.361299
other
Si10C10
20
156
206.29
mp-581405
-4.8404
-1.782206
-6.725546
other
Zn40S40
80
156
1,619.01
mp-624399
-1.208625
2.843177
-3.005375
other
Cd9I18
27
156
1,022.63
mp-568735
-1.155782
0.552835
2.361904
other
Si18C18
36
156
371.31
mp-567199
-0.938171
2.348568
-3.022301
other
Pb5I10
15
156
680.15
mp-555594
-4.841143
-1.742762
-6.70302
other
Zn24S24
48
156
938.2
mp-554503
-4.840736
-1.744717
-6.703875
other
Zn28S28
56
156
1,096.33
mp-570559
-1.207518
2.840505
-3.006922
other
Cd5I10
15
156
580.02
mp-570019
-1.2077
2.841738
-3.006113
other
Cd8I16
24
156
918.44
mp-571569
-1.208509
2.842864
-3.005302
other
Cd9I18
27
156
1,024.26
mp-684029
-1.193782
2.838354
-3.002979
other
Cd14I28
42
156
1,682.03
mp-680113
-1.191545
2.837058
-3.003079
other
Cd11I22
33
156
1,324.26
mp-570472
-1.207976
2.842204
-3.005658
other
Cd5I10
15
156
571.56
mp-669326
-1.207967
2.842706
-3.005917
other
Cd9I18
27
156
1,024.59
mp-571667
-1.190272
2.842861
-3.005092
other
Cd13I26
39
156
1,611.08
mp-1094429
-7.989478
-9.73563
4.426534
other
Mg3Zn3
6
156
114.47
mp-680145
-1.193646
2.837091
-3.002915
other
Cd20I40
60
156
2,396.93
mp-555664
-4.840762
-1.742158
-6.701768
other
Zn24S24
48
156
937.98
mp-556448
-4.840841
-1.742724
-6.702394
other
Zn18S18
36
156
703.74
mp-570082
-1.208059
2.842595
-3.005757
other
Cd8I16
24
156
911.41
mp-1021511
-3.996015
-1.415745
-5.655318
other
Cd1S1
2
156
92.89
mp-567246
-0.938909
2.349305
-3.020833
other
Pb7I14
21
156
945.36
mp-555773
-4.841386
-1.743296
-6.703952
other
Zn18S18
36
156
703.82
mp-680205
-0.935456
2.359271
-3.069923
other
Pb15I30
45
156
2,060.86
mp-555311
-4.841211
-1.744765
-6.704854
other
Zn26S26
52
156
1,017.8
mp-555151
-4.840838
-1.744001
-6.70347
other
Zn28S28
56
156
1,095.71
mp-1039136
-7.037698
-7.968776
2.943047
other
Mg3Cd3
6
156
134.15
mp-570882
-1.208425
2.843178
-3.005877
other
Cd6I12
18
156
679.29
mp-1101100
-1.642269
-8.14613
1.857592
other
Ti3S4
7
156
884.98
mp-556363
-4.841402
-1.743166
-6.703873
other
Zn18S18
36
156
703.75
mp-557175
-4.841423
-1.742994
-6.703764
other
Zn18S18
36
156
703.66